PD-184352 (BRD-K05104363)

Overview

pert_id
BRD-K05104363
Name
PD-184352
Synonyms
S1020
Collection
BIOA
Summary
CI-1040 (PD 184352) is an ATP non-competitive MEK1/2 inhibitor with IC50 of 17 nM.
MOA
MEK inhibitor
Target(s)
MAP2K1, MAP3K1, MAP3K2
Indication(s)
Unknown
Phase
Phase 2
Canonical SMILES
Fc1ccc(C(=O)NOCC2CC2)c(Nc3ccc(I)cc3Cl)c1F
InChI key
InChIKey=GFMMXOIFOQCCGU-UHFFFAOYSA-N
InChI string
InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
Molecular formula
C17H14ClF2IN2O2
Molecular weight
478.66

External links

PubChem
6918454
Wikipedia
http://www.selleckchem.com/products/CI-1040-(PD184352).html
SEP-L1000
BRD-K05104363

Predicted MOAs

MOA Probability
MEK inhibitor 0.9637
EGFR inhibitor 0.0066
calcium channel blocker 0.0045
HDAC inhibitor 0.0025
tubulin polymerization inhibitor 0.0021
Aurora kinase inhibitor 0.0019
RAF inhibitor 0.0016
HSP inhibitor 0.0014
cyclooxygenase inhibitor 0.0013
PI3K inhibitor 0.0012

Chemical structure

Gene signatures

Signature ID p-value Cell Dose
1 LJP005_HT29_24H:BRD-K05104363:10 0 HT29 10.0
2 CPC014_HT29_6H:BRD-K05104363:10.0 0 HT29 10.0
3 LJP005_HEPG2_24H:BRD-K05104363:10 0 HEPG2 10.0
4 LJP005_A549_24H:BRD-K05104363:10 0.0002 A549 10.0
5 LJP005_MCF10A_24H:BRD-K05104363:10 0.0002 MCF10A 10.0
6 LJP005_MCF10A_24H:BRD-K05104363:3.33 0.0002 MCF10A 3.3
7 LJP005_HEPG2_24H:BRD-K05104363:3.33 0.0003 HEPG2 3.3
8 LJP005_A375_24H:BRD-K05104363:3.33 0.0004 A375 3.3
9 LJP005_A375_24H:BRD-K05104363:1.11 0.0004 A375 1.1
10 LJP005_HT29_24H:BRD-K05104363:3.33 0.0005 HT29 3.3
11 LJP005_A375_24H:BRD-K05104363:0.37 0.0008 A375 0.4
12 LJP005_HS578T_24H:BRD-K05104363:10 0.0008 HS578T 10.0
13 LJP005_BT20_3H:BRD-K05104363:3.33 0.0009 BT20 3.3
14 LJP005_HEPG2_24H:BRD-K05104363:0.37 0.0009 HEPG2 0.4
15 LJP005_HEPG2_24H:BRD-K05104363:0.12 0.0009 HEPG2 0.1
16 LJP005_A375_24H:BRD-K05104363:0.12 0.001 A375 0.1
17 LJP005_HS578T_24H:BRD-K05104363:3.33 0.0014 HS578T 3.3
18 CPC013_HT29_6H:BRD-K05104363:10.0 0.0015 HT29 10.0
19 LJP005_HEPG2_24H:BRD-K05104363:1.11 0.0015 HEPG2 1.1
20 LJP005_HA1E_24H:BRD-K05104363:10 0.0016 HA1E 10.0
21 CPC014_PC3_24H:BRD-K05104363:10.0 0.0016 PC3 10.0
22 LJP005_A375_24H:BRD-K05104363:10 0.0017 A375 10.0
23 LJP005_HT29_24H:BRD-K05104363:1.11 0.0017 HT29 1.1
24 LJP005_A375_24H:BRD-K05104363:0.04 0.0018 A375 0.0
25 LJP005_HCC515_24H:BRD-K05104363:10 0.0018 HCC515 10.0
26 LJP005_MDAMB231_3H:BRD-K05104363:3.33 0.0019 MDAMB231 3.3
27 CPC014_HCC515_6H:BRD-K05104363:10.0 0.0019 HCC515 10.0
28 LJP005_MDAMB231_24H:BRD-K05104363:10 0.002 MDAMB231 10.0
29 LJP005_HS578T_24H:BRD-K05104363:0.37 0.0021 HS578T 0.4
30 CPC014_VCAP_24H:BRD-K05104363:10.0 0.0022 VCAP 10.0
31 LJP005_MDAMB231_3H:BRD-K05104363:1.11 0.0022 MDAMB231 1.1
32 LJP005_HEPG2_24H:BRD-K05104363:0.04 0.0024 HEPG2 0.0
33 LJP005_MCF10A_24H:BRD-K05104363:1.11 0.0028 MCF10A 1.1
34 LJP005_HT29_24H:BRD-K05104363:0.37 0.0033 HT29 0.4
35 LJP005_HCC515_24H:BRD-K05104363:3.33 0.0035 HCC515 3.3
36 LJP005_HS578T_24H:BRD-K05104363:1.11 0.0042 HS578T 1.1
37 LJP005_BT20_3H:BRD-K05104363:1.11 0.0043 BT20 1.1
38 LJP005_BT20_24H:BRD-K05104363:10 0.0052 BT20 10.0
39 LJP005_MDAMB231_3H:BRD-K05104363:10 0.0057 MDAMB231 10.0
40 LJP005_A549_24H:BRD-K05104363:1.11 0.0057 A549 1.1
41 LJP005_A549_24H:BRD-K05104363:3.33 0.0061 A549 3.3
42 LJP005_HS578T_24H:BRD-K05104363:0.12 0.0069 HS578T 0.1
43 CPC013_A549_24H:BRD-K05104363:10.0 0.0086 A549 10.0
44 CPC014_SKB_24H:BRD-K05104363:10.0 0.0086 SKB 10.0
45 LJP005_MDAMB231_24H:BRD-K05104363:3.33 0.0095 MDAMB231 3.3
46 LJP005_MCF10A_3H:BRD-K05104363:3.33 0.0099 MCF10A 3.3
47 LJP005_PC3_24H:BRD-K05104363:10 0.01 PC3 10.0
48 LJP005_BT20_24H:BRD-K05104363:3.33 0.0109 BT20 3.3
49 LJP005_BT20_3H:BRD-K05104363:10 0.0113 BT20 10.0
50 LJP005_MCF10A_24H:BRD-K05104363:0.37 0.0113 MCF10A 0.4

PCA

Interactive 3D principal component analysis of gene signatures. You can rotate the visualization and mouse over the data points.

Genes

Hierarchical clustering of genes based on weights from the differential expression method.

Enrichr

Enrichr is a web tool that performs gene set enrichment analysis. To generate the hierarchical clusterings below, GEN3VA enriched each gene signature using Enrichr and then clustered the terms. Use the select button to change Enrichr's background library.

Hierarchical clustering of enriched terms from

L1000CDS2

L1000CDS2 is a web tool that queries the LINCS L1000 dataset to identify small molecules that can reverse or mimic the observed input expression pattern. To generate the hierarchical clustering below, GEN3VA enriched each gene signature using L1000CDS2 to generate a list of perturbations that either mimic (red) and reverse (blue) expression.

About

LINCS L1000FWD is actively developed by the Ma’ayan Laboratory for the BD2K-LINCS Data Coordination and Integration Center and the Mount Sinai Center for Bioinformatics at the Icahn School of Medicine at Mount Sinai, New York, NY 10029 USA

L1000FWD's web-based tools and services are free for academic, non-profit use, but for commercial uses please contact MSIP for a license.

Contact
Affiliations
Citation

Wang Z, Lachmann A, Keenan AB, Ma'ayan A (2018) L1000FWD: fireworks visualization of drug-induced transcriptomic signatures. Bioinformatics doi: 10.1093/bioinformatics/bty060

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